diethyl 3-methyl-5-[2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O5S/c1-4-32-24(30)21-18(3)22(25(31)33-5-2)34-23(21)26-20(29)17-28-13-9-12-27(14-15-28)16-19-10-7-6-8-11-19/h6-8,10-11H,4-5,9,12-17H2,1-3H3,(H,26,29)